N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine

C11H22N2 — CID 123324348

IUPACN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
SMILESCC(C)=NC=CCC(C)CN(C)C
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyTYHSTJKPPOBCJX-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.57
Rot. Bonds5

About N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine

N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine (PubChem CID 123324348) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
PubChem CID123324348
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
SMILESCC(C)=NC=CCC(C)CN(C)C
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3
InChIKeyTYHSTJKPPOBCJX-UHFFFAOYSA-N
XLogP2.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The IUPAC name of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine (CID 123324348) is N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine.
What is the SMILES notation for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The canonical SMILES for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine is CC(C)=NC=CCC(C)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
The InChIKey is TYHSTJKPPOBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12-8-6-7-11(3)9-13(4)5/h6,8,11H,7,9H2,1-5H3.
What are the key properties of N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine?
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 123324348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).